2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione

C43H47N7O6 — CID 134481722

About 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione (PubChem CID 134481722) has the molecular formula C43H47N7O6 and a molecular weight of 757.89 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione
• PubChem CID: 134481722
• Molecular Formula: C43H47N7O6
• Molecular Weight: 757.89 g/mol
• Exact Mass: 757.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCN(CCOCCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C43H47N7O6/c51-40-13-12-39(41(52)47-40)50-42(53)34-11-9-32(26-35(34)43(50)54)56-23-3-1-2-16-48-17-19-49(20-18-48)21-24-55-22-4-5-31-8-6-30(27-45-31)29-7-10-33-36-28-44-15-14-37(36)46-38(33)25-29/h6-11,14-15,25-28,39,46H,1-5,12-13,16-24H2,(H,47,51,52)
• InChIKey: HZIUFNXFMUCJFP-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 150.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	757.89
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione (CID 134481722) is 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCCCCN4CCN(CCOCCCc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione?

The InChIKey is HZIUFNXFMUCJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N7O6/c51-40-13-12-39(41(52)47-40)50-42(53)34-11-9-32(26-35(34)43(50)54)56-23-3-1-2-16-48-17-19-49(20-18-48)21-24-55-22-4-5-31-8-6-30(27-45-31)29-7-10-33-36-28-44-15-14-37(36)46-38(33)25-29/h6-11,14-15,25-28,39,46H,1-5,12-13,16-24H2,(H,47,51,52).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione has a molecular weight of 757.89 g/mol, XLogP of 5.00, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[5-[4-[2-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propoxy]ethyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione is sourced from PubChem (CID 134481722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).